Common name
2-methyl-5-phenyl-oxazole
IUPAC name
2-methyl-5-phenyl-oxazole
SMILES
c1(ccccc1)c2oc(nc2)C
Common name
2-methyl-5-phenyl-oxazole
IUPAC name
2-methyl-5-phenyl-oxazole
SMILES
c1(ccccc1)c2oc(nc2)C
INCHI
InChI=1S/C10H9NO/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3
FORMULA
C10H9NO
Common name
2-methyl-5-phenyl-oxazole
IUPAC name
2-methyl-5-phenyl-oxazole
Molecular weight
159.185
clogP
2.934
clogS
-3.222
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.03
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00845 | Oxaprozin |
|
Anti-Inflammatory Agents, Non-Steroidal; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Propionic Acid Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | Used to relieve the inflammation, swelling, stiffness, and joint pain associated with rheumatoid arthritis and osteoarthritis. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yb9_ligand_2_34.mol2 | 2yb9 | 1 | -7.40 | Cc1ncc(c2ccccc2)o1 | 12 |
| 2yb9_ligand_1_8.mol2 | 2yb9 | 0.84127 | -7.04 | c1ccccc1c1cnco1 | 11 |
| 1y6b_ligand_1_6.mol2 | 1y6b | 0.84127 | -7.02 | c1oc(cn1)c1ccccc1 | 11 |
| 1y6a_ligand_1_5.mol2 | 1y6a | 0.84127 | -6.97 | c1ncc(o1)c1ccccc1 | 11 |
| 4bks_ligand_1_3.mol2 | 4bks | 0.84127 | -6.62 | c1ccc(cc1)c1ocnc1 | 11 |
| 4w9c_ligand_1_5.mol2 | 4w9c | 0.84127 | -6.57 | c1(ocnc1)c1ccccc1 | 11 |
| 4cby_ligand_1_3.mol2 | 4cby | 0.84127 | -6.41 | c1(ocnc1)c1ccccc1 | 11 |
| 4bks_ligand_2_5.mol2 | 4bks | 0.815385 | -6.77 | Cc1ccc(cc1)c1ocnc1 | 12 |
100 ,
11
